3-[4-(3,3-dimethylbut-1-ynyl)phenyl]quinazolin-4-one

Systemtic Name: 3-[4-(3,3-dimethylbut-1-ynyl)phenyl]quinazolin-4-one Openeye Name: 3-[4-(3,3-dimethylbut-1-ynyl)phenyl]quinazolin-4-one CAS Name: 3-[4-(3,3-dimethylbut-1-ynyl)phenyl]-4-quinazolinone IUPAC Name: 3-[4-(3,3-dimethylbut-1-ynyl)phenyl]quinazolin-4-one Traditional Name: 3-[4-(3,3-dimethylbut-1-ynyl)phenyl]quinazolin-4-one Formula: C20H18N2O MolecularWeight: 302.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC=C(C=C1)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C#CC1=CC=C(C=C1)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O/c1-20(2,3)13-12-15-8-10-16(11-9-15)22-14-21-18-7-5-4-6-17(18)19(22)23/h4-11,14H,1-3H3